2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine

C19H21F3N6O2S — CID 152759055

IUPAC2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
SMILESCC(C)C1(N)N=C(Nc2cccc(S(C)(=O)=O)c2)NC(c2cccc(C(F)(F)F)n2)=N1
InChIInChI=1S/C19H21F3N6O2S/c1-11(2)19(23)27-16(14-8-5-9-15(25-14)18(20,21)22)26-17(28-19)24-12-6-4-7-13(10-12)31(3,29)30/h4-11H,23H2,1-3H3,(H2,24,26,27,28)
InChIKeyGDOMHNMQUMFRJP-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.59
Rot. Bonds4

About 2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine

2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine (PubChem CID 152759055) has the molecular formula C19H21F3N6O2S and a molecular weight of 454.48 g/mol. Its IUPAC name is 2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
PubChem CID152759055
Molecular FormulaC19H21F3N6O2S
Molecular Weight454.48 g/mol
Exact Mass454.14
IUPAC Name2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
SMILESCC(C)C1(N)N=C(Nc2cccc(S(C)(=O)=O)c2)NC(c2cccc(C(F)(F)F)n2)=N1
InChIInChI=1S/C19H21F3N6O2S/c1-11(2)19(23)27-16(14-8-5-9-15(25-14)18(20,21)22)26-17(28-19)24-12-6-4-7-13(10-12)31(3,29)30/h4-11H,23H2,1-3H3,(H2,24,26,27,28)
InChIKeyGDOMHNMQUMFRJP-UHFFFAOYSA-N
XLogP2.59
TPSA121.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine
CID 152759031
4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 154348543
4-(4,4-difluorocyclohexyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 154288348
6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 152759038
2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 152753865
4-(1-pyridin-2-ylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 158109097
4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 159428406
2-N,4-N-di(propan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine
CID 162596571
2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine
CID 152759050
2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine
CID 23218110
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide
CID 144770922

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine (CID 152759055) is 2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine is CC(C)C1(N)N=C(Nc2cccc(S(C)(=O)=O)c2)NC(c2cccc(C(F)(F)F)n2)=N1.
What is the InChIKey of 2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is GDOMHNMQUMFRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2S/c1-11(2)19(23)27-16(14-8-5-9-15(25-14)18(20,21)22)26-17(28-19)24-12-6-4-7-13(10-12)31(3,29)30/h4-11H,23H2,1-3H3,(H2,24,26,27,28).
What are the key properties of 2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 454.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 152759055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).